USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 115:sc= 0.503 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 154:sc= -0.248 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= 1.21 (180deg=0.746) USER MOD Single : A 32 ASN : amide:sc=-0.00109 X(o=-0.0011,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= -0.0506 (180deg=-0.276) USER MOD Single : A 39 SER OG : rot 94:sc= 0.123 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0916 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.7!) USER MOD Single : A 70 ASN : amide:sc= -0.595 K(o=-0.59,f=-4!) USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0603) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.198) USER MOD Single : A 77 LYS NZ :NH3+ 143:sc= -0.31 (180deg=-1.52!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.406 -0.352 -19.267 1.00 0.00 N ATOM 44 CA VAL A 4 -11.052 -0.294 -17.821 1.00 0.00 C ATOM 45 C VAL A 4 -10.558 1.111 -17.472 1.00 0.00 C ATOM 46 O VAL A 4 -10.205 1.888 -18.336 1.00 0.00 O ATOM 47 CB VAL A 4 -9.946 -1.310 -17.527 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.401 -2.702 -17.970 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.680 -0.920 -18.293 1.00 0.00 C ATOM 0 HA VAL A 4 -11.932 -0.529 -17.222 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.736 -1.320 -16.457 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.613 -3.426 -17.761 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.304 -2.980 -17.426 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.611 -2.693 -19.040 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.891 -1.643 -18.084 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.890 -0.911 -19.363 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.355 0.072 -17.978 1.00 0.00 H new ATOM 59 N THR A 5 -10.531 1.444 -16.210 1.00 0.00 N ATOM 60 CA THR A 5 -10.060 2.799 -15.808 1.00 0.00 C ATOM 61 C THR A 5 -8.617 2.709 -15.306 1.00 0.00 C ATOM 62 O THR A 5 -8.213 1.722 -14.725 1.00 0.00 O ATOM 63 CB THR A 5 -10.955 3.340 -14.691 1.00 0.00 C ATOM 64 OG1 THR A 5 -12.300 3.389 -15.148 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.496 4.745 -14.300 1.00 0.00 C ATOM 0 H THR A 5 -10.815 0.837 -15.441 1.00 0.00 H new ATOM 0 HA THR A 5 -10.106 3.469 -16.667 1.00 0.00 H new ATOM 0 HB THR A 5 -10.888 2.685 -13.822 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.876 3.734 -14.434 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.135 5.128 -13.504 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.464 4.707 -13.950 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.561 5.403 -15.166 1.00 0.00 H new ATOM 73 N LYS A 6 -7.838 3.732 -15.526 1.00 0.00 N ATOM 74 CA LYS A 6 -6.422 3.703 -15.061 1.00 0.00 C ATOM 75 C LYS A 6 -6.205 4.803 -14.019 1.00 0.00 C ATOM 76 O LYS A 6 -6.657 5.919 -14.176 1.00 0.00 O ATOM 77 CB LYS A 6 -5.490 3.938 -16.252 1.00 0.00 C ATOM 78 CG LYS A 6 -4.957 2.594 -16.755 1.00 0.00 C ATOM 79 CD LYS A 6 -4.704 2.677 -18.262 1.00 0.00 C ATOM 80 CE LYS A 6 -4.428 1.277 -18.811 1.00 0.00 C ATOM 81 NZ LYS A 6 -4.338 1.335 -20.298 1.00 0.00 N ATOM 0 H LYS A 6 -8.120 4.586 -16.007 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.205 2.732 -14.615 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.025 4.451 -17.051 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.662 4.583 -15.958 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.034 2.339 -16.234 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.674 1.802 -16.539 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.569 3.112 -18.763 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.856 3.332 -18.464 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.499 0.888 -18.395 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.222 0.594 -18.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.150 0.383 -20.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.235 1.689 -20.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.565 1.974 -20.574 1.00 0.00 H new ATOM 95 N TYR A 7 -5.515 4.496 -12.955 1.00 0.00 N ATOM 96 CA TYR A 7 -5.269 5.523 -11.904 1.00 0.00 C ATOM 97 C TYR A 7 -3.765 5.760 -11.763 1.00 0.00 C ATOM 98 O TYR A 7 -3.005 4.847 -11.502 1.00 0.00 O ATOM 99 CB TYR A 7 -5.837 5.034 -10.570 1.00 0.00 C ATOM 100 CG TYR A 7 -7.201 5.642 -10.348 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.179 5.550 -11.347 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.488 6.299 -9.146 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.443 6.115 -11.141 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.753 6.863 -8.941 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.730 6.771 -9.939 1.00 0.00 C ATOM 106 OH TYR A 7 -10.976 7.328 -9.737 1.00 0.00 O ATOM 0 H TYR A 7 -5.111 3.578 -12.768 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.757 6.456 -12.186 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.908 3.946 -10.570 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.168 5.310 -9.755 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.958 5.044 -12.275 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.734 6.371 -8.377 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.197 6.044 -11.911 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.975 7.369 -8.013 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.009 7.744 -8.850 1.00 0.00 H new ATOM 116 N PHE A 8 -3.326 6.977 -11.933 1.00 0.00 N ATOM 117 CA PHE A 8 -1.871 7.269 -11.808 1.00 0.00 C ATOM 118 C PHE A 8 -1.549 7.648 -10.361 1.00 0.00 C ATOM 119 O PHE A 8 -2.416 8.036 -9.602 1.00 0.00 O ATOM 120 CB PHE A 8 -1.503 8.431 -12.733 1.00 0.00 C ATOM 121 CG PHE A 8 -1.222 7.902 -14.118 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.153 7.071 -14.753 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.029 8.241 -14.769 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.891 6.579 -16.038 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.233 7.750 -16.053 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.699 6.920 -16.689 1.00 0.00 C ATOM 0 H PHE A 8 -3.913 7.782 -12.153 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.298 6.385 -12.088 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.317 9.155 -12.767 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.628 8.954 -12.347 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.073 6.809 -14.252 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.689 8.882 -14.280 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.608 5.937 -16.527 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.154 8.011 -16.554 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.498 6.543 -17.681 1.00 0.00 H new ATOM 136 N TYR A 9 -0.308 7.540 -9.971 1.00 0.00 N ATOM 137 CA TYR A 9 0.068 7.894 -8.573 1.00 0.00 C ATOM 138 C TYR A 9 1.488 8.463 -8.555 1.00 0.00 C ATOM 139 O TYR A 9 2.456 7.739 -8.427 1.00 0.00 O ATOM 140 CB TYR A 9 0.009 6.641 -7.697 1.00 0.00 C ATOM 141 CG TYR A 9 0.329 7.010 -6.268 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.699 7.394 -5.397 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.652 6.968 -5.814 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.403 7.737 -4.073 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.948 7.311 -4.488 1.00 0.00 C ATOM 146 CZ TYR A 9 0.921 7.695 -3.618 1.00 0.00 C ATOM 147 OH TYR A 9 1.213 8.033 -2.313 1.00 0.00 O ATOM 0 H TYR A 9 0.462 7.222 -10.560 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.627 8.640 -8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.982 6.191 -7.754 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.719 5.897 -8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.720 7.425 -5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.444 6.671 -6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.195 8.034 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.969 7.279 -4.137 1.00 0.00 H new ATOM 0 HH TYR A 9 1.556 7.246 -1.840 1.00 0.00 H new ATOM 157 N LYS A 10 1.622 9.755 -8.681 1.00 0.00 N ATOM 158 CA LYS A 10 2.979 10.368 -8.671 1.00 0.00 C ATOM 159 C LYS A 10 3.731 9.921 -7.415 1.00 0.00 C ATOM 160 O LYS A 10 3.365 10.261 -6.308 1.00 0.00 O ATOM 161 CB LYS A 10 2.850 11.893 -8.672 1.00 0.00 C ATOM 162 CG LYS A 10 3.912 12.495 -9.594 1.00 0.00 C ATOM 163 CD LYS A 10 3.410 12.465 -11.039 1.00 0.00 C ATOM 164 CE LYS A 10 4.433 13.147 -11.949 1.00 0.00 C ATOM 165 NZ LYS A 10 3.729 14.064 -12.890 1.00 0.00 N ATOM 0 H LYS A 10 0.850 10.412 -8.790 1.00 0.00 H new ATOM 0 HA LYS A 10 3.528 10.049 -9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.855 12.184 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.971 12.279 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.130 13.520 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.843 11.934 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.252 11.435 -11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.448 12.972 -11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.153 13.706 -11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.995 12.398 -12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.425 14.528 -13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.059 13.519 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.211 14.786 -12.349 1.00 0.00 H new ATOM 179 N GLY A 11 4.778 9.161 -7.579 1.00 0.00 N ATOM 180 CA GLY A 11 5.552 8.693 -6.393 1.00 0.00 C ATOM 181 C GLY A 11 6.558 9.769 -5.980 1.00 0.00 C ATOM 182 O GLY A 11 6.438 10.919 -6.351 1.00 0.00 O ATOM 0 H GLY A 11 5.132 8.844 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.875 8.477 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.073 7.765 -6.629 1.00 0.00 H new ATOM 186 N GLU A 12 7.549 9.403 -5.213 1.00 0.00 N ATOM 187 CA GLU A 12 8.561 10.405 -4.777 1.00 0.00 C ATOM 188 C GLU A 12 9.431 10.806 -5.970 1.00 0.00 C ATOM 189 O GLU A 12 9.698 11.970 -6.193 1.00 0.00 O ATOM 190 CB GLU A 12 9.443 9.798 -3.684 1.00 0.00 C ATOM 191 CG GLU A 12 8.561 9.142 -2.621 1.00 0.00 C ATOM 192 CD GLU A 12 7.394 10.070 -2.281 1.00 0.00 C ATOM 193 OE1 GLU A 12 6.524 10.228 -3.122 1.00 0.00 O ATOM 194 OE2 GLU A 12 7.390 10.608 -1.186 1.00 0.00 O ATOM 0 H GLU A 12 7.701 8.454 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 12 8.053 11.286 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.119 9.060 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.062 10.572 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.185 8.186 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.147 8.934 -1.726 1.00 0.00 H new ATOM 201 N ASN A 13 9.875 9.850 -6.740 1.00 0.00 N ATOM 202 CA ASN A 13 10.727 10.177 -7.917 1.00 0.00 C ATOM 203 C ASN A 13 10.105 9.578 -9.181 1.00 0.00 C ATOM 204 O ASN A 13 10.070 10.202 -10.222 1.00 0.00 O ATOM 205 CB ASN A 13 12.127 9.593 -7.713 1.00 0.00 C ATOM 206 CG ASN A 13 12.570 9.822 -6.267 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.979 9.292 -5.348 1.00 0.00 O ATOM 208 ND2 ASN A 13 13.594 10.595 -6.025 1.00 0.00 N ATOM 0 H ASN A 13 9.684 8.857 -6.604 1.00 0.00 H new ATOM 0 HA ASN A 13 10.796 11.260 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.124 8.527 -7.939 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.832 10.062 -8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.897 10.754 -5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.091 11.040 -6.797 1.00 0.00 H new ATOM 215 N THR A 14 9.612 8.373 -9.096 1.00 0.00 N ATOM 216 CA THR A 14 8.992 7.737 -10.293 1.00 0.00 C ATOM 217 C THR A 14 7.469 7.824 -10.186 1.00 0.00 C ATOM 218 O THR A 14 6.932 8.316 -9.213 1.00 0.00 O ATOM 219 CB THR A 14 9.415 6.268 -10.366 1.00 0.00 C ATOM 220 OG1 THR A 14 8.913 5.691 -11.563 1.00 0.00 O ATOM 221 CG2 THR A 14 8.856 5.512 -9.160 1.00 0.00 C ATOM 0 H THR A 14 9.612 7.802 -8.251 1.00 0.00 H new ATOM 0 HA THR A 14 9.323 8.256 -11.193 1.00 0.00 H new ATOM 0 HB THR A 14 10.503 6.203 -10.359 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.185 4.751 -11.612 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.158 4.466 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.243 5.955 -8.242 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.768 5.576 -9.163 1.00 0.00 H new ATOM 229 N ASP A 15 6.767 7.349 -11.178 1.00 0.00 N ATOM 230 CA ASP A 15 5.278 7.406 -11.132 1.00 0.00 C ATOM 231 C ASP A 15 4.713 5.984 -11.143 1.00 0.00 C ATOM 232 O ASP A 15 5.003 5.197 -12.023 1.00 0.00 O ATOM 233 CB ASP A 15 4.758 8.170 -12.352 1.00 0.00 C ATOM 234 CG ASP A 15 3.243 7.997 -12.456 1.00 0.00 C ATOM 235 OD1 ASP A 15 2.809 6.884 -12.700 1.00 0.00 O ATOM 236 OD2 ASP A 15 2.541 8.981 -12.289 1.00 0.00 O ATOM 0 H ASP A 15 7.160 6.924 -12.018 1.00 0.00 H new ATOM 0 HA ASP A 15 4.962 7.916 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.009 9.227 -12.266 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.240 7.801 -13.258 1.00 0.00 H new ATOM 241 N LEU A 16 3.908 5.648 -10.172 1.00 0.00 N ATOM 242 CA LEU A 16 3.326 4.277 -10.128 1.00 0.00 C ATOM 243 C LEU A 16 1.871 4.328 -10.601 1.00 0.00 C ATOM 244 O LEU A 16 1.075 5.104 -10.109 1.00 0.00 O ATOM 245 CB LEU A 16 3.378 3.747 -8.694 1.00 0.00 C ATOM 246 CG LEU A 16 4.833 3.476 -8.303 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.901 3.088 -6.826 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.385 2.331 -9.156 1.00 0.00 C ATOM 0 H LEU A 16 3.629 6.263 -9.408 1.00 0.00 H new ATOM 0 HA LEU A 16 3.898 3.617 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.936 4.472 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.792 2.832 -8.612 1.00 0.00 H new ATOM 0 HG LEU A 16 5.427 4.374 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.937 2.895 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.507 3.902 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.307 2.190 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.421 2.137 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.790 1.433 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.337 2.606 -10.210 1.00 0.00 H new ATOM 260 N ILE A 17 1.517 3.506 -11.550 1.00 0.00 N ATOM 261 CA ILE A 17 0.114 3.508 -12.052 1.00 0.00 C ATOM 262 C ILE A 17 -0.593 2.230 -11.596 1.00 0.00 C ATOM 263 O ILE A 17 0.032 1.220 -11.338 1.00 0.00 O ATOM 264 CB ILE A 17 0.121 3.568 -13.581 1.00 0.00 C ATOM 265 CG1 ILE A 17 0.850 4.834 -14.037 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.319 3.597 -14.097 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.812 4.487 -15.175 1.00 0.00 C ATOM 0 H ILE A 17 2.138 2.833 -11.999 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.413 4.376 -11.655 1.00 0.00 H new ATOM 0 HB ILE A 17 0.632 2.690 -13.977 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.130 5.581 -14.371 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.399 5.271 -13.203 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.314 3.640 -15.186 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.840 2.697 -13.771 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.830 4.475 -13.702 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.331 5.389 -15.500 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.540 3.755 -14.826 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.251 4.070 -16.011 1.00 0.00 H new ATOM 279 N VAL A 18 -1.894 2.264 -11.495 1.00 0.00 N ATOM 280 CA VAL A 18 -2.640 1.052 -11.056 1.00 0.00 C ATOM 281 C VAL A 18 -3.812 0.802 -12.007 1.00 0.00 C ATOM 282 O VAL A 18 -4.319 1.712 -12.634 1.00 0.00 O ATOM 283 CB VAL A 18 -3.171 1.265 -9.637 1.00 0.00 C ATOM 284 CG1 VAL A 18 -2.098 0.861 -8.624 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.523 2.742 -9.442 1.00 0.00 C ATOM 0 H VAL A 18 -2.472 3.080 -11.698 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.972 0.191 -11.068 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.061 0.654 -9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.476 1.013 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.844 -0.190 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.208 1.472 -8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.902 2.895 -8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.632 3.351 -9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.287 3.032 -10.163 1.00 0.00 H new ATOM 295 N PHE A 19 -4.248 -0.422 -12.118 1.00 0.00 N ATOM 296 CA PHE A 19 -5.387 -0.728 -13.029 1.00 0.00 C ATOM 297 C PHE A 19 -6.691 -0.736 -12.229 1.00 0.00 C ATOM 298 O PHE A 19 -6.699 -0.984 -11.039 1.00 0.00 O ATOM 299 CB PHE A 19 -5.174 -2.100 -13.670 1.00 0.00 C ATOM 300 CG PHE A 19 -4.513 -1.930 -15.017 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.119 -1.846 -15.107 1.00 0.00 C ATOM 302 CD2 PHE A 19 -5.296 -1.856 -16.176 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.507 -1.687 -16.356 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.684 -1.698 -17.425 1.00 0.00 C ATOM 305 CZ PHE A 19 -3.289 -1.614 -17.515 1.00 0.00 C ATOM 0 H PHE A 19 -3.865 -1.224 -11.617 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.443 0.032 -13.808 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.554 -2.722 -13.025 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.129 -2.612 -13.784 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.516 -1.904 -14.213 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.372 -1.921 -16.106 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.431 -1.621 -16.426 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.287 -1.641 -18.319 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.816 -1.493 -18.479 1.00 0.00 H new ATOM 315 N ALA A 20 -7.794 -0.467 -12.871 1.00 0.00 N ATOM 316 CA ALA A 20 -9.097 -0.460 -12.147 1.00 0.00 C ATOM 317 C ALA A 20 -10.217 -0.860 -13.108 1.00 0.00 C ATOM 318 O ALA A 20 -10.079 -0.764 -14.312 1.00 0.00 O ATOM 319 CB ALA A 20 -9.369 0.943 -11.601 1.00 0.00 C ATOM 0 H ALA A 20 -7.850 -0.252 -13.866 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.058 -1.170 -11.321 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.322 0.949 -11.071 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.571 1.228 -10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.408 1.653 -12.427 1.00 0.00 H new ATOM 325 N ALA A 21 -11.327 -1.307 -12.588 1.00 0.00 N ATOM 326 CA ALA A 21 -12.455 -1.711 -13.473 1.00 0.00 C ATOM 327 C ALA A 21 -13.124 -0.463 -14.051 1.00 0.00 C ATOM 328 O ALA A 21 -12.972 -0.148 -15.215 1.00 0.00 O ATOM 329 CB ALA A 21 -13.477 -2.510 -12.663 1.00 0.00 C ATOM 0 H ALA A 21 -11.501 -1.410 -11.588 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.075 -2.328 -14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.303 -2.806 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.000 -3.400 -12.253 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.857 -1.894 -11.848 1.00 0.00 H new ATOM 335 N SER A 22 -13.863 0.251 -13.248 1.00 0.00 N ATOM 336 CA SER A 22 -14.541 1.479 -13.752 1.00 0.00 C ATOM 337 C SER A 22 -14.589 2.529 -12.640 1.00 0.00 C ATOM 338 O SER A 22 -14.288 2.250 -11.496 1.00 0.00 O ATOM 339 CB SER A 22 -15.964 1.132 -14.189 1.00 0.00 C ATOM 340 OG SER A 22 -16.361 2.009 -15.234 1.00 0.00 O ATOM 0 H SER A 22 -14.027 0.037 -12.264 1.00 0.00 H new ATOM 0 HA SER A 22 -13.987 1.877 -14.602 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.010 0.098 -14.530 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.648 1.221 -13.345 1.00 0.00 H new ATOM 0 HG SER A 22 -17.273 1.788 -15.518 1.00 0.00 H new ATOM 346 N GLU A 23 -14.966 3.735 -12.966 1.00 0.00 N ATOM 347 CA GLU A 23 -15.033 4.801 -11.926 1.00 0.00 C ATOM 348 C GLU A 23 -16.153 4.477 -10.936 1.00 0.00 C ATOM 349 O GLU A 23 -16.115 4.878 -9.790 1.00 0.00 O ATOM 350 CB GLU A 23 -15.316 6.149 -12.596 1.00 0.00 C ATOM 351 CG GLU A 23 -14.309 7.187 -12.099 1.00 0.00 C ATOM 352 CD GLU A 23 -14.477 8.483 -12.895 1.00 0.00 C ATOM 353 OE1 GLU A 23 -15.606 8.819 -13.209 1.00 0.00 O ATOM 354 OE2 GLU A 23 -13.473 9.117 -13.176 1.00 0.00 O ATOM 0 H GLU A 23 -15.230 4.028 -13.906 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.083 4.852 -11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.248 6.050 -13.679 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.331 6.474 -12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.462 7.378 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.294 6.807 -12.212 1.00 0.00 H new ATOM 361 N GLU A 24 -17.149 3.753 -11.367 1.00 0.00 N ATOM 362 CA GLU A 24 -18.269 3.403 -10.448 1.00 0.00 C ATOM 363 C GLU A 24 -17.748 2.496 -9.332 1.00 0.00 C ATOM 364 O GLU A 24 -17.578 2.917 -8.206 1.00 0.00 O ATOM 365 CB GLU A 24 -19.362 2.673 -11.232 1.00 0.00 C ATOM 366 CG GLU A 24 -20.366 2.057 -10.255 1.00 0.00 C ATOM 367 CD GLU A 24 -21.606 1.596 -11.022 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.606 1.711 -12.236 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.536 1.134 -10.381 1.00 0.00 O ATOM 0 H GLU A 24 -17.236 3.389 -12.316 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.681 4.313 -10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.869 3.367 -11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.920 1.895 -11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.913 1.213 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.646 2.787 -9.495 1.00 0.00 H new ATOM 376 N LEU A 25 -17.493 1.252 -9.636 1.00 0.00 N ATOM 377 CA LEU A 25 -16.983 0.320 -8.592 1.00 0.00 C ATOM 378 C LEU A 25 -15.925 1.032 -7.747 1.00 0.00 C ATOM 379 O LEU A 25 -15.792 0.786 -6.565 1.00 0.00 O ATOM 380 CB LEU A 25 -16.360 -0.905 -9.264 1.00 0.00 C ATOM 381 CG LEU A 25 -17.468 -1.846 -9.741 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.040 -2.519 -11.045 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.722 -2.915 -8.676 1.00 0.00 C ATOM 0 H LEU A 25 -17.616 0.842 -10.562 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.807 0.004 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.743 -0.595 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.705 -1.423 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.381 -1.275 -9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.830 -3.189 -11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.858 -1.758 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.127 -3.090 -10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.511 -3.586 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.808 -3.485 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.027 -2.436 -7.746 1.00 0.00 H new ATOM 395 N VAL A 26 -15.170 1.912 -8.344 1.00 0.00 N ATOM 396 CA VAL A 26 -14.120 2.639 -7.575 1.00 0.00 C ATOM 397 C VAL A 26 -14.785 3.566 -6.555 1.00 0.00 C ATOM 398 O VAL A 26 -14.734 3.331 -5.364 1.00 0.00 O ATOM 399 CB VAL A 26 -13.266 3.468 -8.537 1.00 0.00 C ATOM 400 CG1 VAL A 26 -12.605 4.616 -7.773 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.186 2.577 -9.154 1.00 0.00 C ATOM 0 H VAL A 26 -15.234 2.160 -9.331 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.487 1.920 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.898 3.875 -9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.997 5.206 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.374 5.250 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.972 4.211 -6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.577 3.166 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.554 2.171 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.657 1.759 -9.699 1.00 0.00 H new ATOM 411 N ASP A 27 -15.407 4.617 -7.013 1.00 0.00 N ATOM 412 CA ASP A 27 -16.074 5.559 -6.069 1.00 0.00 C ATOM 413 C ASP A 27 -16.786 4.764 -4.973 1.00 0.00 C ATOM 414 O ASP A 27 -16.776 5.136 -3.816 1.00 0.00 O ATOM 415 CB ASP A 27 -17.097 6.404 -6.831 1.00 0.00 C ATOM 416 CG ASP A 27 -17.552 7.570 -5.951 1.00 0.00 C ATOM 417 OD1 ASP A 27 -17.386 7.477 -4.746 1.00 0.00 O ATOM 418 OD2 ASP A 27 -18.058 8.536 -6.497 1.00 0.00 O ATOM 0 H ASP A 27 -15.483 4.865 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.326 6.211 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.657 6.781 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.953 5.791 -7.113 1.00 0.00 H new ATOM 423 N GLU A 28 -17.407 3.671 -5.327 1.00 0.00 N ATOM 424 CA GLU A 28 -18.119 2.855 -4.303 1.00 0.00 C ATOM 425 C GLU A 28 -17.134 2.427 -3.214 1.00 0.00 C ATOM 426 O GLU A 28 -17.310 2.730 -2.051 1.00 0.00 O ATOM 427 CB GLU A 28 -18.716 1.612 -4.967 1.00 0.00 C ATOM 428 CG GLU A 28 -20.196 1.856 -5.270 1.00 0.00 C ATOM 429 CD GLU A 28 -21.041 1.414 -4.075 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.857 0.294 -3.626 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.858 2.202 -3.628 1.00 0.00 O ATOM 0 H GLU A 28 -17.452 3.309 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.917 3.449 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.178 1.385 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.606 0.748 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.366 2.912 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.491 1.304 -6.162 1.00 0.00 H new ATOM 438 N TYR A 29 -16.097 1.725 -3.580 1.00 0.00 N ATOM 439 CA TYR A 29 -15.102 1.279 -2.564 1.00 0.00 C ATOM 440 C TYR A 29 -14.805 2.431 -1.602 1.00 0.00 C ATOM 441 O TYR A 29 -14.880 2.282 -0.398 1.00 0.00 O ATOM 442 CB TYR A 29 -13.811 0.854 -3.266 1.00 0.00 C ATOM 443 CG TYR A 29 -12.838 0.312 -2.244 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.941 -1.017 -1.817 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.835 1.140 -1.726 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.040 -1.518 -0.869 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.935 0.638 -0.779 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.037 -0.691 -0.351 1.00 0.00 C ATOM 449 OH TYR A 29 -10.149 -1.186 0.583 1.00 0.00 O ATOM 0 H TYR A 29 -15.896 1.441 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.506 0.434 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.026 0.095 -4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.371 1.704 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.714 -1.655 -2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.756 2.165 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.119 -2.543 -0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.161 1.276 -0.378 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.311 -0.680 0.538 1.00 0.00 H new ATOM 459 N LEU A 30 -14.468 3.579 -2.123 1.00 0.00 N ATOM 460 CA LEU A 30 -14.167 4.738 -1.237 1.00 0.00 C ATOM 461 C LEU A 30 -15.386 5.044 -0.365 1.00 0.00 C ATOM 462 O LEU A 30 -15.263 5.347 0.806 1.00 0.00 O ATOM 463 CB LEU A 30 -13.834 5.961 -2.094 1.00 0.00 C ATOM 464 CG LEU A 30 -12.513 5.726 -2.829 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.648 6.181 -4.283 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.402 6.528 -2.146 1.00 0.00 C ATOM 0 H LEU A 30 -14.388 3.764 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.316 4.497 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.634 6.144 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.760 6.849 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.267 4.664 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.706 6.013 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.440 5.612 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.894 7.242 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.460 6.362 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.650 7.589 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.304 6.205 -1.110 1.00 0.00 H new ATOM 478 N LYS A 31 -16.562 4.967 -0.924 1.00 0.00 N ATOM 479 CA LYS A 31 -17.787 5.253 -0.126 1.00 0.00 C ATOM 480 C LYS A 31 -17.985 4.149 0.915 1.00 0.00 C ATOM 481 O LYS A 31 -18.879 4.211 1.737 1.00 0.00 O ATOM 482 CB LYS A 31 -19.002 5.302 -1.056 1.00 0.00 C ATOM 483 CG LYS A 31 -18.920 6.549 -1.937 1.00 0.00 C ATOM 484 CD LYS A 31 -19.590 7.725 -1.224 1.00 0.00 C ATOM 485 CE LYS A 31 -19.066 9.040 -1.802 1.00 0.00 C ATOM 486 NZ LYS A 31 -19.176 9.008 -3.288 1.00 0.00 N ATOM 0 H LYS A 31 -16.728 4.718 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.677 6.213 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.034 4.407 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.921 5.317 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.878 6.787 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.409 6.364 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.672 7.668 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.386 7.679 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.637 9.878 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.028 9.191 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.185 9.980 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.364 8.494 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.057 8.527 -3.561 1.00 0.00 H new ATOM 500 N ASN A 32 -17.160 3.139 0.887 1.00 0.00 N ATOM 501 CA ASN A 32 -17.303 2.032 1.874 1.00 0.00 C ATOM 502 C ASN A 32 -16.154 1.037 1.695 1.00 0.00 C ATOM 503 O ASN A 32 -16.313 -0.004 1.089 1.00 0.00 O ATOM 504 CB ASN A 32 -18.637 1.318 1.651 1.00 0.00 C ATOM 505 CG ASN A 32 -18.880 0.322 2.787 1.00 0.00 C ATOM 506 OD1 ASN A 32 -19.268 0.706 3.873 1.00 0.00 O ATOM 507 ND2 ASN A 32 -18.666 -0.948 2.582 1.00 0.00 N ATOM 0 H ASN A 32 -16.393 3.032 0.223 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.275 2.440 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -19.448 2.045 1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.627 0.798 0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.824 -1.620 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.340 -1.270 1.670 1.00 0.00 H new ATOM 514 N PRO A 33 -15.005 1.363 2.220 1.00 0.00 N ATOM 515 CA PRO A 33 -13.798 0.493 2.124 1.00 0.00 C ATOM 516 C PRO A 33 -14.100 -0.960 2.502 1.00 0.00 C ATOM 517 O PRO A 33 -14.842 -1.230 3.425 1.00 0.00 O ATOM 518 CB PRO A 33 -12.821 1.113 3.125 1.00 0.00 C ATOM 519 CG PRO A 33 -13.230 2.544 3.247 1.00 0.00 C ATOM 520 CD PRO A 33 -14.733 2.601 2.965 1.00 0.00 C ATOM 0 HA PRO A 33 -13.410 0.451 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.872 0.607 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.793 1.027 2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.009 2.925 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.680 3.165 2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.310 2.646 3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.996 3.483 2.382 1.00 0.00 H new ATOM 528 N SER A 34 -13.530 -1.897 1.795 1.00 0.00 N ATOM 529 CA SER A 34 -13.785 -3.331 2.114 1.00 0.00 C ATOM 530 C SER A 34 -12.731 -4.202 1.427 1.00 0.00 C ATOM 531 O SER A 34 -12.872 -4.574 0.279 1.00 0.00 O ATOM 532 CB SER A 34 -15.176 -3.724 1.614 1.00 0.00 C ATOM 533 OG SER A 34 -15.193 -5.115 1.321 1.00 0.00 O ATOM 0 H SER A 34 -12.899 -1.732 1.011 1.00 0.00 H new ATOM 0 HA SER A 34 -13.731 -3.479 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.926 -3.490 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.431 -3.150 0.723 1.00 0.00 H new ATOM 0 HG SER A 34 -16.083 -5.371 1.001 1.00 0.00 H new ATOM 539 N ILE A 35 -11.677 -4.531 2.121 1.00 0.00 N ATOM 540 CA ILE A 35 -10.616 -5.379 1.506 1.00 0.00 C ATOM 541 C ILE A 35 -11.262 -6.592 0.832 1.00 0.00 C ATOM 542 O ILE A 35 -10.734 -7.140 -0.115 1.00 0.00 O ATOM 543 CB ILE A 35 -9.650 -5.854 2.592 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.574 -6.743 1.963 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.418 -6.653 3.647 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.217 -6.426 2.592 1.00 0.00 C ATOM 0 H ILE A 35 -11.504 -4.250 3.086 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.070 -4.797 0.763 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.180 -4.990 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.821 -7.794 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.535 -6.578 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.729 -6.991 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.185 -6.021 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.889 -7.517 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.451 -7.059 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.970 -5.379 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.261 -6.614 3.665 1.00 0.00 H new ATOM 558 N GLY A 36 -12.399 -7.012 1.312 1.00 0.00 N ATOM 559 CA GLY A 36 -13.078 -8.189 0.698 1.00 0.00 C ATOM 560 C GLY A 36 -13.662 -7.791 -0.659 1.00 0.00 C ATOM 561 O GLY A 36 -14.108 -8.625 -1.422 1.00 0.00 O ATOM 0 H GLY A 36 -12.888 -6.592 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.369 -9.008 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.870 -8.549 1.355 1.00 0.00 H new ATOM 565 N LYS A 37 -13.661 -6.523 -0.967 1.00 0.00 N ATOM 566 CA LYS A 37 -14.215 -6.073 -2.274 1.00 0.00 C ATOM 567 C LYS A 37 -13.082 -5.537 -3.151 1.00 0.00 C ATOM 568 O LYS A 37 -13.166 -5.541 -4.363 1.00 0.00 O ATOM 569 CB LYS A 37 -15.244 -4.966 -2.038 1.00 0.00 C ATOM 570 CG LYS A 37 -15.365 -4.104 -3.296 1.00 0.00 C ATOM 571 CD LYS A 37 -16.679 -3.320 -3.254 1.00 0.00 C ATOM 572 CE LYS A 37 -16.867 -2.566 -4.572 1.00 0.00 C ATOM 573 NZ LYS A 37 -16.276 -1.203 -4.453 1.00 0.00 N ATOM 0 H LYS A 37 -13.300 -5.779 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.695 -6.914 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.212 -5.402 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.943 -4.350 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.521 -3.417 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.333 -4.733 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.515 -4.000 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.670 -2.618 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.390 -3.111 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.927 -2.494 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.984 -0.868 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.983 -0.551 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.448 -1.237 -3.825 1.00 0.00 H new ATOM 587 N LEU A 38 -12.021 -5.076 -2.548 1.00 0.00 N ATOM 588 CA LEU A 38 -10.884 -4.539 -3.346 1.00 0.00 C ATOM 589 C LEU A 38 -10.677 -5.408 -4.589 1.00 0.00 C ATOM 590 O LEU A 38 -10.263 -4.933 -5.628 1.00 0.00 O ATOM 591 CB LEU A 38 -9.611 -4.556 -2.496 1.00 0.00 C ATOM 592 CG LEU A 38 -8.681 -3.428 -2.945 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.068 -2.131 -2.232 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.237 -3.790 -2.595 1.00 0.00 C ATOM 0 H LEU A 38 -11.893 -5.048 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.105 -3.516 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.863 -4.436 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.108 -5.518 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.772 -3.290 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.405 -1.328 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.097 -1.872 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.978 -2.267 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.573 -2.987 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.147 -3.928 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.960 -4.714 -3.103 1.00 0.00 H new ATOM 606 N SER A 39 -10.962 -6.677 -4.492 1.00 0.00 N ATOM 607 CA SER A 39 -10.783 -7.573 -5.669 1.00 0.00 C ATOM 608 C SER A 39 -11.677 -7.096 -6.814 1.00 0.00 C ATOM 609 O SER A 39 -11.205 -6.598 -7.817 1.00 0.00 O ATOM 610 CB SER A 39 -11.165 -9.003 -5.284 1.00 0.00 C ATOM 611 OG SER A 39 -11.080 -9.148 -3.873 1.00 0.00 O ATOM 0 H SER A 39 -11.311 -7.132 -3.649 1.00 0.00 H new ATOM 0 HA SER A 39 -9.741 -7.549 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.177 -9.225 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.500 -9.714 -5.775 1.00 0.00 H new ATOM 0 HG SER A 39 -11.960 -8.984 -3.474 1.00 0.00 H new ATOM 617 N GLU A 40 -12.966 -7.245 -6.675 1.00 0.00 N ATOM 618 CA GLU A 40 -13.889 -6.799 -7.757 1.00 0.00 C ATOM 619 C GLU A 40 -13.412 -5.455 -8.311 1.00 0.00 C ATOM 620 O GLU A 40 -13.513 -5.190 -9.492 1.00 0.00 O ATOM 621 CB GLU A 40 -15.302 -6.646 -7.191 1.00 0.00 C ATOM 622 CG GLU A 40 -15.782 -7.992 -6.644 1.00 0.00 C ATOM 623 CD GLU A 40 -17.045 -7.781 -5.806 1.00 0.00 C ATOM 624 OE1 GLU A 40 -18.055 -7.405 -6.376 1.00 0.00 O ATOM 625 OE2 GLU A 40 -16.979 -8.000 -4.607 1.00 0.00 O ATOM 0 H GLU A 40 -13.420 -7.656 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.897 -7.539 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.309 -5.897 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.980 -6.295 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.988 -8.678 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.001 -8.449 -6.036 1.00 0.00 H new ATOM 632 N VAL A 41 -12.895 -4.604 -7.467 1.00 0.00 N ATOM 633 CA VAL A 41 -12.413 -3.278 -7.946 1.00 0.00 C ATOM 634 C VAL A 41 -11.164 -3.472 -8.809 1.00 0.00 C ATOM 635 O VAL A 41 -11.196 -3.298 -10.011 1.00 0.00 O ATOM 636 CB VAL A 41 -12.072 -2.395 -6.745 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.770 -0.974 -7.225 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.260 -2.366 -5.782 1.00 0.00 C ATOM 0 H VAL A 41 -12.786 -4.770 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.193 -2.799 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.198 -2.798 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.527 -0.345 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.924 -0.994 -7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.643 -0.569 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.019 -1.737 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.134 -1.962 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.476 -3.378 -5.440 1.00 0.00 H new ATOM 648 N VAL A 42 -10.065 -3.829 -8.204 1.00 0.00 N ATOM 649 CA VAL A 42 -8.815 -4.033 -8.991 1.00 0.00 C ATOM 650 C VAL A 42 -8.793 -5.456 -9.552 1.00 0.00 C ATOM 651 O VAL A 42 -9.005 -6.417 -8.841 1.00 0.00 O ATOM 652 CB VAL A 42 -7.602 -3.823 -8.083 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.324 -3.856 -8.923 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.717 -2.467 -7.385 1.00 0.00 C ATOM 0 H VAL A 42 -9.978 -3.988 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.781 -3.318 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.566 -4.616 -7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.460 -3.706 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.241 -4.822 -9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.359 -3.063 -9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.853 -2.317 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.753 -1.675 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.628 -2.442 -6.786 1.00 0.00 H new ATOM 664 N GLU A 43 -8.535 -5.597 -10.823 1.00 0.00 N ATOM 665 CA GLU A 43 -8.499 -6.958 -11.429 1.00 0.00 C ATOM 666 C GLU A 43 -7.056 -7.466 -11.457 1.00 0.00 C ATOM 667 O GLU A 43 -6.802 -8.649 -11.353 1.00 0.00 O ATOM 668 CB GLU A 43 -9.046 -6.896 -12.857 1.00 0.00 C ATOM 669 CG GLU A 43 -8.797 -5.503 -13.439 1.00 0.00 C ATOM 670 CD GLU A 43 -9.334 -5.445 -14.871 1.00 0.00 C ATOM 671 OE1 GLU A 43 -9.294 -6.465 -15.540 1.00 0.00 O ATOM 672 OE2 GLU A 43 -9.777 -4.382 -15.274 1.00 0.00 O ATOM 0 H GLU A 43 -8.348 -4.829 -11.468 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.111 -7.636 -10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.563 -7.652 -13.476 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.113 -7.117 -12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.287 -4.748 -12.825 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.730 -5.279 -13.430 1.00 0.00 H new ATOM 679 N LEU A 44 -6.108 -6.579 -11.596 1.00 0.00 N ATOM 680 CA LEU A 44 -4.683 -7.012 -11.631 1.00 0.00 C ATOM 681 C LEU A 44 -3.974 -6.533 -10.363 1.00 0.00 C ATOM 682 O LEU A 44 -3.923 -5.353 -10.078 1.00 0.00 O ATOM 683 CB LEU A 44 -3.996 -6.411 -12.859 1.00 0.00 C ATOM 684 CG LEU A 44 -4.139 -7.367 -14.044 1.00 0.00 C ATOM 685 CD1 LEU A 44 -5.611 -7.749 -14.217 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.640 -6.679 -15.316 1.00 0.00 C ATOM 0 H LEU A 44 -6.259 -5.574 -11.687 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.635 -8.100 -11.685 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.441 -5.446 -13.101 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.942 -6.232 -12.648 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.549 -8.265 -13.859 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.713 -8.430 -15.062 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.969 -8.238 -13.311 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.201 -6.851 -14.402 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.741 -7.359 -16.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.231 -5.781 -15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.592 -6.405 -15.194 1.00 0.00 H new ATOM 698 N PHE A 45 -3.426 -7.438 -9.600 1.00 0.00 N ATOM 699 CA PHE A 45 -2.721 -7.032 -8.351 1.00 0.00 C ATOM 700 C PHE A 45 -1.238 -6.806 -8.652 1.00 0.00 C ATOM 701 O PHE A 45 -0.401 -7.635 -8.354 1.00 0.00 O ATOM 702 CB PHE A 45 -2.866 -8.138 -7.302 1.00 0.00 C ATOM 703 CG PHE A 45 -4.051 -7.839 -6.416 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.325 -7.687 -6.979 1.00 0.00 C ATOM 705 CD2 PHE A 45 -3.878 -7.714 -5.033 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.425 -7.410 -6.157 1.00 0.00 C ATOM 707 CE2 PHE A 45 -4.977 -7.437 -4.212 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.251 -7.284 -4.774 1.00 0.00 C ATOM 0 H PHE A 45 -3.436 -8.441 -9.787 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.159 -6.109 -7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.999 -9.103 -7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.958 -8.207 -6.702 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.459 -7.783 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.896 -7.831 -4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.407 -7.294 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.843 -7.341 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.099 -7.069 -4.140 1.00 0.00 H new ATOM 718 N GLU A 46 -0.908 -5.690 -9.241 1.00 0.00 N ATOM 719 CA GLU A 46 0.520 -5.411 -9.561 1.00 0.00 C ATOM 720 C GLU A 46 0.684 -3.931 -9.912 1.00 0.00 C ATOM 721 O GLU A 46 -0.176 -3.329 -10.523 1.00 0.00 O ATOM 722 CB GLU A 46 0.954 -6.269 -10.753 1.00 0.00 C ATOM 723 CG GLU A 46 2.481 -6.277 -10.847 1.00 0.00 C ATOM 724 CD GLU A 46 2.926 -7.354 -11.837 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.407 -8.456 -11.756 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.779 -7.062 -12.659 1.00 0.00 O ATOM 0 H GLU A 46 -1.565 -4.959 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 46 1.139 -5.651 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.581 -7.287 -10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.524 -5.875 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.841 -5.300 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.915 -6.468 -9.866 1.00 0.00 H new ATOM 733 N VAL A 47 1.783 -3.339 -9.531 1.00 0.00 N ATOM 734 CA VAL A 47 2.000 -1.898 -9.842 1.00 0.00 C ATOM 735 C VAL A 47 2.845 -1.772 -11.111 1.00 0.00 C ATOM 736 O VAL A 47 3.906 -2.353 -11.222 1.00 0.00 O ATOM 737 CB VAL A 47 2.729 -1.229 -8.675 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.242 0.213 -8.528 1.00 0.00 C ATOM 739 CG2 VAL A 47 2.438 -1.998 -7.385 1.00 0.00 C ATOM 0 H VAL A 47 2.540 -3.791 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 47 1.038 -1.410 -9.997 1.00 0.00 H new ATOM 0 HB VAL A 47 3.802 -1.232 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.761 0.689 -7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.448 0.762 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.169 0.217 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.957 -1.522 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.365 -1.994 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.784 -3.026 -7.488 1.00 0.00 H new ATOM 749 N PHE A 48 2.382 -1.018 -12.070 1.00 0.00 N ATOM 750 CA PHE A 48 3.160 -0.854 -13.331 1.00 0.00 C ATOM 751 C PHE A 48 3.646 0.591 -13.448 1.00 0.00 C ATOM 752 O PHE A 48 3.053 1.501 -12.902 1.00 0.00 O ATOM 753 CB PHE A 48 2.267 -1.190 -14.528 1.00 0.00 C ATOM 754 CG PHE A 48 1.706 -2.581 -14.366 1.00 0.00 C ATOM 755 CD1 PHE A 48 2.420 -3.686 -14.845 1.00 0.00 C ATOM 756 CD2 PHE A 48 0.469 -2.769 -13.735 1.00 0.00 C ATOM 757 CE1 PHE A 48 1.900 -4.976 -14.696 1.00 0.00 C ATOM 758 CE2 PHE A 48 -0.052 -4.059 -13.586 1.00 0.00 C ATOM 759 CZ PHE A 48 0.663 -5.163 -14.066 1.00 0.00 C ATOM 0 H PHE A 48 1.499 -0.509 -12.035 1.00 0.00 H new ATOM 0 HA PHE A 48 4.019 -1.525 -13.317 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.456 -0.466 -14.604 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.841 -1.124 -15.452 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.374 -3.542 -15.330 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.082 -1.918 -13.364 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.452 -5.827 -15.066 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.006 -4.203 -13.101 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.261 -6.159 -13.951 1.00 0.00 H new ATOM 769 N THR A 49 4.719 0.811 -14.156 1.00 0.00 N ATOM 770 CA THR A 49 5.241 2.199 -14.307 1.00 0.00 C ATOM 771 C THR A 49 5.557 2.467 -15.780 1.00 0.00 C ATOM 772 O THR A 49 5.654 1.556 -16.578 1.00 0.00 O ATOM 773 CB THR A 49 6.515 2.359 -13.474 1.00 0.00 C ATOM 774 OG1 THR A 49 7.601 2.684 -14.331 1.00 0.00 O ATOM 775 CG2 THR A 49 6.816 1.051 -12.740 1.00 0.00 C ATOM 0 H THR A 49 5.257 0.090 -14.637 1.00 0.00 H new ATOM 0 HA THR A 49 4.490 2.909 -13.961 1.00 0.00 H new ATOM 0 HB THR A 49 6.375 3.157 -12.745 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.417 2.788 -13.799 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.723 1.167 -12.147 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.983 0.803 -12.083 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.957 0.250 -13.466 1.00 0.00 H new ATOM 783 N PRO A 50 5.717 3.714 -16.134 1.00 0.00 N ATOM 784 CA PRO A 50 6.030 4.122 -17.532 1.00 0.00 C ATOM 785 C PRO A 50 7.127 3.254 -18.157 1.00 0.00 C ATOM 786 O PRO A 50 7.550 2.268 -17.588 1.00 0.00 O ATOM 787 CB PRO A 50 6.509 5.567 -17.389 1.00 0.00 C ATOM 788 CG PRO A 50 5.860 6.080 -16.146 1.00 0.00 C ATOM 789 CD PRO A 50 5.618 4.874 -15.234 1.00 0.00 C ATOM 0 HA PRO A 50 5.167 4.012 -18.189 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.595 5.615 -17.313 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.223 6.163 -18.256 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.498 6.814 -15.653 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.920 6.580 -16.380 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.359 4.823 -14.436 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.639 4.926 -14.757 1.00 0.00 H new ATOM 911 N LEU A 60 4.718 -0.539 -20.460 1.00 0.00 N ATOM 912 CA LEU A 60 4.764 -0.364 -18.980 1.00 0.00 C ATOM 913 C LEU A 60 5.673 -1.431 -18.369 1.00 0.00 C ATOM 914 O LEU A 60 5.810 -2.519 -18.894 1.00 0.00 O ATOM 915 CB LEU A 60 3.353 -0.506 -18.406 1.00 0.00 C ATOM 916 CG LEU A 60 2.332 -0.007 -19.429 1.00 0.00 C ATOM 917 CD1 LEU A 60 0.954 0.089 -18.772 1.00 0.00 C ATOM 918 CD2 LEU A 60 2.751 1.375 -19.935 1.00 0.00 C ATOM 0 HA LEU A 60 5.155 0.625 -18.743 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.154 -1.548 -18.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.266 0.065 -17.482 1.00 0.00 H new ATOM 0 HG LEU A 60 2.288 -0.704 -20.266 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.227 0.445 -19.502 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.654 -0.895 -18.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.998 0.785 -17.935 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.024 1.731 -20.664 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.796 2.071 -19.097 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.733 1.308 -20.404 1.00 0.00 H new ATOM 930 N GLY A 61 6.296 -1.130 -17.262 1.00 0.00 N ATOM 931 CA GLY A 61 7.196 -2.128 -16.618 1.00 0.00 C ATOM 932 C GLY A 61 6.701 -2.422 -15.200 1.00 0.00 C ATOM 933 O GLY A 61 5.654 -1.962 -14.789 1.00 0.00 O ATOM 0 H GLY A 61 6.220 -0.236 -16.776 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.217 -3.046 -17.205 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.216 -1.746 -16.586 1.00 0.00 H new ATOM 937 N ALA A 62 7.447 -3.185 -14.449 1.00 0.00 N ATOM 938 CA ALA A 62 7.019 -3.508 -13.058 1.00 0.00 C ATOM 939 C ALA A 62 7.926 -2.780 -12.064 1.00 0.00 C ATOM 940 O ALA A 62 9.078 -2.512 -12.341 1.00 0.00 O ATOM 941 CB ALA A 62 7.122 -5.017 -12.830 1.00 0.00 C ATOM 0 H ALA A 62 8.334 -3.598 -14.738 1.00 0.00 H new ATOM 0 HA ALA A 62 5.987 -3.188 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.809 -5.254 -11.813 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.477 -5.537 -13.538 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.154 -5.337 -12.976 1.00 0.00 H new ATOM 947 N ALA A 63 7.415 -2.457 -10.907 1.00 0.00 N ATOM 948 CA ALA A 63 8.249 -1.747 -9.896 1.00 0.00 C ATOM 949 C ALA A 63 8.862 -2.766 -8.934 1.00 0.00 C ATOM 950 O ALA A 63 8.190 -3.644 -8.433 1.00 0.00 O ATOM 951 CB ALA A 63 7.373 -0.767 -9.112 1.00 0.00 C ATOM 0 H ALA A 63 6.457 -2.654 -10.618 1.00 0.00 H new ATOM 0 HA ALA A 63 9.045 -1.200 -10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.981 -0.247 -8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.936 -0.041 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.577 -1.314 -8.607 1.00 0.00 H new ATOM 957 N SER A 64 10.136 -2.654 -8.672 1.00 0.00 N ATOM 958 CA SER A 64 10.792 -3.616 -7.743 1.00 0.00 C ATOM 959 C SER A 64 10.391 -3.288 -6.303 1.00 0.00 C ATOM 960 O SER A 64 10.141 -2.149 -5.963 1.00 0.00 O ATOM 961 CB SER A 64 12.312 -3.510 -7.888 1.00 0.00 C ATOM 962 OG SER A 64 12.844 -4.792 -8.193 1.00 0.00 O ATOM 0 H SER A 64 10.750 -1.938 -9.061 1.00 0.00 H new ATOM 0 HA SER A 64 10.475 -4.630 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.565 -2.801 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.752 -3.131 -6.965 1.00 0.00 H new ATOM 0 HG SER A 64 13.817 -4.728 -8.288 1.00 0.00 H new ATOM 968 N LYS A 65 10.325 -4.277 -5.455 1.00 0.00 N ATOM 969 CA LYS A 65 9.939 -4.021 -4.039 1.00 0.00 C ATOM 970 C LYS A 65 10.672 -2.779 -3.526 1.00 0.00 C ATOM 971 O LYS A 65 10.070 -1.869 -2.991 1.00 0.00 O ATOM 972 CB LYS A 65 10.321 -5.228 -3.179 1.00 0.00 C ATOM 973 CG LYS A 65 9.542 -6.458 -3.650 1.00 0.00 C ATOM 974 CD LYS A 65 10.289 -7.726 -3.236 1.00 0.00 C ATOM 975 CE LYS A 65 9.532 -8.955 -3.745 1.00 0.00 C ATOM 976 NZ LYS A 65 9.635 -10.052 -2.741 1.00 0.00 N ATOM 0 H LYS A 65 10.522 -5.252 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 65 8.863 -3.859 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.393 -5.414 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.102 -5.025 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.542 -6.455 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.421 -6.432 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.300 -7.714 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.383 -7.767 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.486 -8.704 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.946 -9.281 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.121 -10.888 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.635 -10.297 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.221 -9.738 -1.840 1.00 0.00 H new ATOM 990 N ALA A 66 11.966 -2.733 -3.686 1.00 0.00 N ATOM 991 CA ALA A 66 12.736 -1.550 -3.208 1.00 0.00 C ATOM 992 C ALA A 66 12.072 -0.269 -3.718 1.00 0.00 C ATOM 993 O ALA A 66 12.061 0.744 -3.047 1.00 0.00 O ATOM 994 CB ALA A 66 14.169 -1.627 -3.738 1.00 0.00 C ATOM 0 H ALA A 66 12.524 -3.464 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 66 12.751 -1.542 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.733 -0.762 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.642 -2.539 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.154 -1.634 -4.828 1.00 0.00 H new ATOM 1000 N GLN A 67 11.519 -0.304 -4.899 1.00 0.00 N ATOM 1001 CA GLN A 67 10.858 0.913 -5.449 1.00 0.00 C ATOM 1002 C GLN A 67 9.536 1.151 -4.717 1.00 0.00 C ATOM 1003 O GLN A 67 9.149 2.274 -4.464 1.00 0.00 O ATOM 1004 CB GLN A 67 10.586 0.715 -6.942 1.00 0.00 C ATOM 1005 CG GLN A 67 10.105 2.032 -7.553 1.00 0.00 C ATOM 1006 CD GLN A 67 10.273 1.982 -9.073 1.00 0.00 C ATOM 1007 OE1 GLN A 67 9.347 2.264 -9.808 1.00 0.00 O ATOM 1008 NE2 GLN A 67 11.425 1.634 -9.578 1.00 0.00 N ATOM 0 H GLN A 67 11.496 -1.123 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 67 11.510 1.775 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.492 0.378 -7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.834 -0.061 -7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.059 2.203 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.674 2.865 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.202 1.397 -8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.548 1.599 -10.590 1.00 0.00 H new ATOM 1017 N VAL A 68 8.838 0.102 -4.375 1.00 0.00 N ATOM 1018 CA VAL A 68 7.541 0.270 -3.660 1.00 0.00 C ATOM 1019 C VAL A 68 7.797 0.864 -2.273 1.00 0.00 C ATOM 1020 O VAL A 68 7.009 1.634 -1.763 1.00 0.00 O ATOM 1021 CB VAL A 68 6.860 -1.092 -3.514 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.481 -0.906 -2.877 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.701 -1.732 -4.895 1.00 0.00 C ATOM 0 H VAL A 68 9.110 -0.864 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 68 6.896 0.940 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 68 7.469 -1.738 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.995 -1.876 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.593 -0.448 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.872 -0.261 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.216 -2.703 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.091 -1.087 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.683 -1.863 -5.350 1.00 0.00 H new ATOM 1033 N GLU A 69 8.894 0.511 -1.659 1.00 0.00 N ATOM 1034 CA GLU A 69 9.197 1.056 -0.306 1.00 0.00 C ATOM 1035 C GLU A 69 9.375 2.573 -0.394 1.00 0.00 C ATOM 1036 O GLU A 69 9.119 3.294 0.550 1.00 0.00 O ATOM 1037 CB GLU A 69 10.486 0.422 0.222 1.00 0.00 C ATOM 1038 CG GLU A 69 10.241 -1.059 0.521 1.00 0.00 C ATOM 1039 CD GLU A 69 11.581 -1.767 0.727 1.00 0.00 C ATOM 1040 OE1 GLU A 69 12.566 -1.079 0.942 1.00 0.00 O ATOM 1041 OE2 GLU A 69 11.600 -2.985 0.666 1.00 0.00 O ATOM 0 H GLU A 69 9.592 -0.130 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 69 8.374 0.826 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.284 0.528 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.814 0.937 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.622 -1.163 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.696 -1.522 -0.302 1.00 0.00 H new ATOM 1048 N ASN A 70 9.812 3.064 -1.522 1.00 0.00 N ATOM 1049 CA ASN A 70 10.005 4.534 -1.669 1.00 0.00 C ATOM 1050 C ASN A 70 8.716 5.259 -1.275 1.00 0.00 C ATOM 1051 O ASN A 70 8.722 6.436 -0.972 1.00 0.00 O ATOM 1052 CB ASN A 70 10.349 4.861 -3.123 1.00 0.00 C ATOM 1053 CG ASN A 70 11.773 4.392 -3.430 1.00 0.00 C ATOM 1054 OD1 ASN A 70 12.181 3.333 -2.998 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.550 5.141 -4.162 1.00 0.00 N ATOM 0 H ASN A 70 10.043 2.511 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 70 10.819 4.860 -1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.642 4.373 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.263 5.934 -3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.501 4.837 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.207 6.030 -4.525 1.00 0.00 H new ATOM 1062 N GLU A 71 7.611 4.566 -1.275 1.00 0.00 N ATOM 1063 CA GLU A 71 6.323 5.217 -0.900 1.00 0.00 C ATOM 1064 C GLU A 71 5.808 4.612 0.407 1.00 0.00 C ATOM 1065 O GLU A 71 5.853 5.233 1.450 1.00 0.00 O ATOM 1066 CB GLU A 71 5.293 4.986 -2.008 1.00 0.00 C ATOM 1067 CG GLU A 71 5.633 5.867 -3.212 1.00 0.00 C ATOM 1068 CD GLU A 71 6.810 5.258 -3.976 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.057 4.077 -3.799 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.445 5.984 -4.723 1.00 0.00 O ATOM 0 H GLU A 71 7.544 3.578 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 71 6.482 6.287 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.288 3.936 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.293 5.220 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.767 5.955 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.884 6.874 -2.879 1.00 0.00 H new ATOM 1077 N PHE A 72 5.319 3.402 0.361 1.00 0.00 N ATOM 1078 CA PHE A 72 4.802 2.760 1.601 1.00 0.00 C ATOM 1079 C PHE A 72 5.026 1.248 1.523 1.00 0.00 C ATOM 1080 O PHE A 72 4.099 0.483 1.346 1.00 0.00 O ATOM 1081 CB PHE A 72 3.306 3.048 1.741 1.00 0.00 C ATOM 1082 CG PHE A 72 2.764 3.554 0.425 1.00 0.00 C ATOM 1083 CD1 PHE A 72 3.120 2.916 -0.770 1.00 0.00 C ATOM 1084 CD2 PHE A 72 1.907 4.659 0.400 1.00 0.00 C ATOM 1085 CE1 PHE A 72 2.618 3.385 -1.990 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.405 5.129 -0.820 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.761 4.491 -2.014 1.00 0.00 C ATOM 0 H PHE A 72 5.256 2.831 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 72 5.330 3.162 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.777 2.143 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.139 3.788 2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.782 2.063 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.632 5.150 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.892 2.894 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.744 5.983 -0.840 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.374 4.853 -2.955 1.00 0.00 H new ATOM 1097 N GLY A 73 6.249 0.812 1.654 1.00 0.00 N ATOM 1098 CA GLY A 73 6.529 -0.650 1.588 1.00 0.00 C ATOM 1099 C GLY A 73 7.486 -1.036 2.711 1.00 0.00 C ATOM 1100 O GLY A 73 7.867 -2.181 2.856 1.00 0.00 O ATOM 0 H GLY A 73 7.066 1.405 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.600 -1.213 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.964 -0.904 0.622 1.00 0.00 H new ATOM 1104 N LYS A 74 7.874 -0.086 3.508 1.00 0.00 N ATOM 1105 CA LYS A 74 8.808 -0.382 4.630 1.00 0.00 C ATOM 1106 C LYS A 74 8.469 -1.749 5.229 1.00 0.00 C ATOM 1107 O LYS A 74 9.331 -2.584 5.417 1.00 0.00 O ATOM 1108 CB LYS A 74 8.669 0.696 5.707 1.00 0.00 C ATOM 1109 CG LYS A 74 9.983 0.815 6.482 1.00 0.00 C ATOM 1110 CD LYS A 74 10.916 1.790 5.760 1.00 0.00 C ATOM 1111 CE LYS A 74 12.186 1.992 6.589 1.00 0.00 C ATOM 1112 NZ LYS A 74 11.896 2.914 7.724 1.00 0.00 N ATOM 0 H LYS A 74 7.584 0.889 3.433 1.00 0.00 H new ATOM 0 HA LYS A 74 9.832 -0.393 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.417 1.652 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.855 0.443 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.789 1.164 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.457 -0.163 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.171 1.403 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.413 2.745 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.543 1.034 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.979 2.404 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.787 3.186 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.417 3.765 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.281 2.435 8.412 1.00 0.00 H new ATOM 1126 N GLY A 75 7.221 -1.983 5.530 1.00 0.00 N ATOM 1127 CA GLY A 75 6.831 -3.296 6.116 1.00 0.00 C ATOM 1128 C GLY A 75 5.417 -3.661 5.657 1.00 0.00 C ATOM 1129 O GLY A 75 4.864 -4.666 6.058 1.00 0.00 O ATOM 0 H GLY A 75 6.456 -1.322 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.536 -4.068 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.870 -3.246 7.204 1.00 0.00 H new ATOM 1133 N LYS A 76 4.829 -2.853 4.818 1.00 0.00 N ATOM 1134 CA LYS A 76 3.452 -3.155 4.335 1.00 0.00 C ATOM 1135 C LYS A 76 3.511 -4.279 3.298 1.00 0.00 C ATOM 1136 O LYS A 76 4.556 -4.838 3.035 1.00 0.00 O ATOM 1137 CB LYS A 76 2.849 -1.903 3.697 1.00 0.00 C ATOM 1138 CG LYS A 76 2.694 -0.812 4.759 1.00 0.00 C ATOM 1139 CD LYS A 76 1.415 -0.016 4.490 1.00 0.00 C ATOM 1140 CE LYS A 76 1.588 1.416 5.001 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.880 1.389 6.462 1.00 0.00 N ATOM 0 H LYS A 76 5.242 -1.998 4.446 1.00 0.00 H new ATOM 0 HA LYS A 76 2.832 -3.468 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.489 -1.550 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.880 -2.137 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.654 -1.259 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.558 -0.148 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.197 -0.008 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.568 -0.490 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.400 1.909 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.683 1.994 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.748 2.341 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.234 0.724 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.863 1.084 6.614 1.00 0.00 H new ATOM 1155 N LYS A 77 2.396 -4.615 2.710 1.00 0.00 N ATOM 1156 CA LYS A 77 2.389 -5.703 1.692 1.00 0.00 C ATOM 1157 C LYS A 77 2.033 -5.120 0.322 1.00 0.00 C ATOM 1158 O LYS A 77 2.459 -4.040 -0.033 1.00 0.00 O ATOM 1159 CB LYS A 77 1.353 -6.759 2.082 1.00 0.00 C ATOM 1160 CG LYS A 77 1.626 -7.241 3.508 1.00 0.00 C ATOM 1161 CD LYS A 77 1.324 -8.737 3.609 1.00 0.00 C ATOM 1162 CE LYS A 77 2.600 -9.536 3.338 1.00 0.00 C ATOM 1163 NZ LYS A 77 3.635 -9.175 4.349 1.00 0.00 N ATOM 0 H LYS A 77 1.490 -4.183 2.890 1.00 0.00 H new ATOM 0 HA LYS A 77 3.376 -6.162 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.349 -6.341 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.396 -7.599 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.666 -7.051 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.009 -6.686 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.938 -8.974 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.551 -9.012 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.389 -10.605 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.968 -9.325 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.182 -10.022 4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.273 -8.457 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.172 -8.794 5.199 1.00 0.00 H new ATOM 1177 N ILE A 78 1.254 -5.829 -0.449 1.00 0.00 N ATOM 1178 CA ILE A 78 0.872 -5.316 -1.795 1.00 0.00 C ATOM 1179 C ILE A 78 -0.580 -4.832 -1.764 1.00 0.00 C ATOM 1180 O ILE A 78 -0.988 -4.009 -2.558 1.00 0.00 O ATOM 1181 CB ILE A 78 1.015 -6.435 -2.827 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.822 -5.859 -4.232 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.044 -7.508 -2.568 1.00 0.00 C ATOM 1184 CD1 ILE A 78 2.153 -5.307 -4.745 1.00 0.00 C ATOM 0 H ILE A 78 0.866 -6.740 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 78 1.525 -4.487 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 78 2.008 -6.878 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.453 -6.632 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.072 -5.069 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.058 -8.305 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.091 -7.918 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.037 -7.066 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.015 -4.897 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.503 -4.521 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.890 -6.109 -4.780 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.363 -5.340 -0.852 1.00 0.00 N ATOM 1197 CA GLU A 79 -2.788 -4.910 -0.771 1.00 0.00 C ATOM 1198 C GLU A 79 -2.861 -3.494 -0.198 1.00 0.00 C ATOM 1199 O GLU A 79 -3.286 -2.567 -0.860 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.560 -5.869 0.137 1.00 0.00 C ATOM 1201 CG GLU A 79 -2.589 -6.549 1.105 1.00 0.00 C ATOM 1202 CD GLU A 79 -3.348 -7.008 2.352 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -3.858 -8.116 2.336 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -3.406 -6.243 3.300 1.00 0.00 O ATOM 0 H GLU A 79 -1.078 -6.033 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.228 -4.922 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.323 -5.325 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.076 -6.618 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.114 -7.402 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.794 -5.858 1.384 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.451 -3.318 1.028 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.496 -1.961 1.642 1.00 0.00 C ATOM 1213 C GLU A 80 -1.909 -0.940 0.666 1.00 0.00 C ATOM 1214 O GLU A 80 -2.527 0.058 0.350 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.680 -1.958 2.936 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.442 -2.719 4.023 1.00 0.00 C ATOM 1217 CD GLU A 80 -1.460 -3.200 5.094 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -0.463 -2.528 5.298 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -1.723 -4.231 5.690 1.00 0.00 O ATOM 0 H GLU A 80 -2.087 -4.055 1.631 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.530 -1.698 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.708 -2.421 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.493 -0.934 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.198 -2.074 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.966 -3.569 3.587 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.719 -1.181 0.186 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.095 -0.223 -0.770 1.00 0.00 C ATOM 1228 C VAL A 81 -1.130 0.206 -1.811 1.00 0.00 C ATOM 1229 O VAL A 81 -1.434 1.374 -1.954 1.00 0.00 O ATOM 1230 CB VAL A 81 1.085 -0.898 -1.470 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.379 -0.177 -2.787 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.319 -0.831 -0.567 1.00 0.00 C ATOM 0 H VAL A 81 -0.153 -1.998 0.414 1.00 0.00 H new ATOM 0 HA VAL A 81 0.258 0.654 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 81 0.838 -1.940 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.220 -0.659 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.501 -0.223 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.626 0.865 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.161 -1.312 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.565 0.211 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.111 -1.345 0.372 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.675 -0.730 -2.540 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.690 -0.374 -3.571 1.00 0.00 C ATOM 1244 C ILE A 82 -3.858 0.355 -2.904 1.00 0.00 C ATOM 1245 O ILE A 82 -4.590 1.087 -3.540 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.203 -1.649 -4.243 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.121 -2.206 -5.170 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.456 -1.327 -5.059 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.442 -3.661 -5.515 1.00 0.00 C ATOM 0 H ILE A 82 -1.461 -1.725 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.236 0.274 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.446 -2.389 -3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.065 -1.609 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.146 -2.143 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.822 -2.235 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.227 -0.929 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.213 -0.587 -5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.671 -4.057 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.475 -4.253 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.409 -3.711 -6.015 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.037 0.164 -1.626 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.157 0.846 -0.918 1.00 0.00 C ATOM 1263 C ASP A 83 -4.871 2.348 -0.843 1.00 0.00 C ATOM 1264 O ASP A 83 -5.615 3.157 -1.362 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.286 0.281 0.498 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.743 0.373 0.953 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.325 1.435 0.801 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.254 -0.619 1.447 1.00 0.00 O ATOM 0 H ASP A 83 -3.455 -0.436 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.087 0.678 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.952 -0.756 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.644 0.836 1.182 1.00 0.00 H new ATOM 1273 N LEU A 84 -3.799 2.727 -0.202 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.468 4.175 -0.095 1.00 0.00 C ATOM 1275 C LEU A 84 -3.546 4.819 -1.481 1.00 0.00 C ATOM 1276 O LEU A 84 -4.120 5.876 -1.653 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.052 4.335 0.462 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.053 4.017 1.958 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.852 3.131 2.294 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -1.964 5.320 2.756 1.00 0.00 C ATOM 0 H LEU A 84 -3.139 2.096 0.252 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.178 4.662 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.366 3.669 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.697 5.352 0.296 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.973 3.493 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.854 2.905 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.915 2.203 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.069 3.653 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.965 5.094 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.044 5.843 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.820 5.951 2.518 1.00 0.00 H new ATOM 1292 N ILE A 85 -2.974 4.191 -2.471 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.018 4.767 -3.844 1.00 0.00 C ATOM 1294 C ILE A 85 -4.475 4.938 -4.279 1.00 0.00 C ATOM 1295 O ILE A 85 -4.919 6.028 -4.578 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.301 3.827 -4.815 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -0.795 3.876 -4.553 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.581 4.267 -6.254 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.140 2.600 -5.084 1.00 0.00 C ATOM 0 H ILE A 85 -2.478 3.304 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.522 5.738 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.664 2.810 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.359 4.749 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.605 3.977 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.070 3.597 -6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.654 4.233 -6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.219 5.285 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.933 2.637 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.567 1.734 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.318 2.519 -6.156 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.221 3.868 -4.317 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.649 3.972 -4.732 1.00 0.00 C ATOM 1313 C LEU A 86 -7.305 5.149 -4.009 1.00 0.00 C ATOM 1314 O LEU A 86 -8.169 5.815 -4.544 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.382 2.678 -4.370 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.160 1.640 -5.472 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.698 0.284 -5.011 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.898 2.077 -6.738 1.00 0.00 C ATOM 0 H LEU A 86 -4.904 2.928 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.704 4.131 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.017 2.295 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.448 2.873 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.094 1.555 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.540 -0.456 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.174 -0.028 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.764 0.368 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.741 1.338 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.964 2.161 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.516 3.044 -7.067 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.900 5.412 -2.796 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.499 6.548 -2.040 1.00 0.00 C ATOM 1332 C ARG A 87 -7.804 7.695 -3.003 1.00 0.00 C ATOM 1333 O ARG A 87 -8.946 8.034 -3.240 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.511 7.024 -0.973 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.206 8.014 -0.036 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.184 8.588 0.947 1.00 0.00 C ATOM 1337 NE ARG A 87 -6.715 8.496 2.341 1.00 0.00 N ATOM 1338 CZ ARG A 87 -7.958 8.802 2.605 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -8.736 9.267 1.666 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -8.418 8.663 3.819 1.00 0.00 N ATOM 0 H ARG A 87 -6.181 4.889 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.422 6.222 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.135 6.173 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.650 7.497 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.663 8.818 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.009 7.515 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.244 8.041 0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.970 9.627 0.698 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.100 8.191 3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.375 9.393 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.705 9.504 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.808 8.316 4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.388 8.901 4.027 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.790 8.296 -3.563 1.00 0.00 N ATOM 1355 CA ASN A 88 -7.019 9.420 -4.513 1.00 0.00 C ATOM 1356 C ASN A 88 -5.713 9.739 -5.245 1.00 0.00 C ATOM 1357 O ASN A 88 -5.048 10.714 -4.957 1.00 0.00 O ATOM 1358 CB ASN A 88 -7.496 10.654 -3.739 1.00 0.00 C ATOM 1359 CG ASN A 88 -8.884 11.066 -4.236 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -9.885 10.693 -3.657 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -8.986 11.825 -5.293 1.00 0.00 N ATOM 0 H ASN A 88 -5.812 8.056 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.780 9.137 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.531 10.436 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.792 11.475 -3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.906 12.105 -5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.146 12.138 -5.779 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.339 8.920 -6.190 1.00 0.00 N ATOM 1369 CA GLY A 89 -4.076 9.174 -6.939 1.00 0.00 C ATOM 1370 C GLY A 89 -4.229 10.440 -7.784 1.00 0.00 C ATOM 1371 O GLY A 89 -4.426 11.522 -7.267 1.00 0.00 O ATOM 0 H GLY A 89 -5.853 8.087 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.245 9.287 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.843 8.323 -7.579 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.140 10.313 -9.079 1.00 0.00 N ATOM 1376 CA LYS A 90 -4.279 11.510 -9.956 1.00 0.00 C ATOM 1377 C LYS A 90 -5.014 11.117 -11.241 1.00 0.00 C ATOM 1378 O LYS A 90 -4.409 10.682 -12.200 1.00 0.00 O ATOM 1379 CB LYS A 90 -2.891 12.048 -10.307 1.00 0.00 C ATOM 1380 CG LYS A 90 -2.110 12.322 -9.019 1.00 0.00 C ATOM 1381 CD LYS A 90 -1.071 13.416 -9.276 1.00 0.00 C ATOM 1382 CE LYS A 90 -0.466 13.867 -7.945 1.00 0.00 C ATOM 1383 NZ LYS A 90 0.103 15.236 -8.096 1.00 0.00 N ATOM 0 H LYS A 90 -3.977 9.433 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.846 12.281 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.355 11.327 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.981 12.963 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.791 12.632 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.618 11.411 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.288 13.041 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.536 14.262 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.229 13.863 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.312 13.171 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.514 15.543 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.843 15.226 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.650 15.896 -8.375 1.00 0.00 H new